==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE RESPONSE 05-JAN-10 3L9R . COMPND 2 MOLECULE: CD1B3; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.M.ZAJONC,E.GIRARDI . 1489 14 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1007 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 543 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 115 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 0 4 8 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 25 4 17 4 14 2 4 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 8 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A V 0 0 138 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.8 71.2 -58.0 17.6 2 4 A F - 0 0 109 2,-0.0 2,-0.3 1,-0.0 4,-0.0 -0.725 360.0-130.0 -77.7 129.5 74.5 -56.1 18.2 3 5 A Q - 0 0 57 -2,-0.4 178,-0.1 2,-0.0 176,-0.0 -0.621 54.0 -8.0 -98.3 139.5 73.6 -53.4 20.7 4 6 A G S S- 0 0 22 -2,-0.3 176,-0.1 176,-0.1 27,-0.1 -0.254 102.4 -3.2 78.9-166.7 74.3 -49.7 20.4 5 7 A P - 0 0 4 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.165 39.1-174.6 -69.5 151.0 76.5 -47.8 17.9 6 8 A T + 0 0 40 96,-0.1 96,-2.9 -4,-0.0 2,-0.3 0.208 64.1 57.1-123.4 10.6 78.5 -49.3 15.1 7 9 A S E -A 101 0A 8 94,-0.2 24,-1.3 161,-0.0 2,-0.4 -0.982 55.2-154.6-146.2 152.5 80.3 -46.2 13.7 8 10 A F E -AB 100 30A 13 92,-2.0 92,-1.3 -2,-0.3 2,-0.4 -0.998 19.6-179.0-125.7 133.5 82.6 -43.3 14.7 9 11 A H E -AB 99 29A 36 20,-2.8 20,-2.5 -2,-0.4 2,-0.3 -0.992 24.8-146.7-136.5 132.3 82.8 -40.0 12.9 10 12 A L E -AB 98 28A 54 88,-3.1 88,-1.7 -2,-0.4 2,-0.4 -0.702 28.8-155.7 -72.9 141.6 84.7 -36.8 13.1 11 13 A M E -AB 97 27A 23 16,-2.9 16,-1.5 -2,-0.3 2,-0.4 -0.992 11.9-171.7-132.0 131.9 82.4 -33.9 12.1 12 14 A Q E -AB 96 26A 10 84,-2.6 84,-2.1 -2,-0.4 2,-0.4 -0.977 7.6-175.7-123.5 131.8 83.4 -30.5 10.8 13 15 A I E -AB 95 25A 2 12,-2.6 12,-1.8 -2,-0.4 2,-0.5 -0.976 11.8-177.3-125.4 117.0 81.2 -27.5 10.2 14 16 A S E -AB 94 24A 0 80,-2.9 80,-2.6 -2,-0.4 2,-0.5 -0.958 7.0-164.9-122.2 116.6 83.0 -24.5 8.5 15 17 A T E -AB 93 23A 1 8,-2.9 8,-2.4 -2,-0.5 2,-0.6 -0.894 3.0-166.0-105.1 129.0 81.3 -21.2 7.8 16 18 A F E +AB 92 22A 0 76,-2.8 76,-2.4 -2,-0.5 6,-0.2 -0.928 17.7 163.0-116.5 106.1 82.9 -18.7 5.5 17 19 A V E - 0 0 62 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.825 63.5 -26.8 -93.8 -39.4 81.2 -15.3 5.9 18 20 A N E > S- B 0 21A 66 3,-1.3 3,-0.9 72,-0.1 -1,-0.3 -0.922 79.1 -69.8-161.4-175.0 83.8 -13.0 4.2 19 21 A S T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 64,-0.0 0.716 131.8 31.7 -59.6 -21.6 87.5 -12.5 3.4 20 22 A T T 3 S+ 0 0 123 1,-0.1 2,-0.4 60,-0.0 -1,-0.2 0.383 110.0 69.5-118.3 1.6 88.3 -12.0 7.1 21 23 A W E < +B 18 0A 123 -3,-0.9 -4,-2.4 2,-0.0 -3,-1.3 -0.915 47.6 146.7-135.6 112.4 85.7 -14.2 8.9 22 24 A A E -B 16 0A 32 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.997 22.7-158.4-143.1 143.8 85.5 -17.9 9.1 23 25 A Q E -B 15 0A 75 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.4 -0.979 1.2-163.1-129.1 131.3 84.3 -20.3 11.8 24 26 A N E -B 14 0A 22 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.915 4.3-174.1-112.6 140.9 85.1 -24.0 12.4 25 27 A Q E -B 13 0A 54 -12,-1.8 -12,-2.6 -2,-0.4 2,-0.3 -0.995 13.8-176.6-130.8 131.7 83.0 -26.2 14.7 26 28 A G E +B 12 0A 10 -2,-0.4 12,-0.5 12,-0.4 2,-0.3 -0.900 9.7 154.9-132.1 159.2 84.3 -29.7 15.4 27 29 A S E -B 11 0A 14 -16,-1.5 -16,-2.9 -2,-0.3 2,-0.4 -0.978 31.0-123.4-171.9 167.6 83.2 -32.9 17.2 28 30 A G E -BC 10 36A 0 8,-1.9 7,-2.5 -2,-0.3 8,-2.1 -0.988 28.8-175.0-127.9 138.0 83.3 -36.7 17.5 29 31 A W E -BC 9 34A 12 -20,-2.5 -20,-2.8 -2,-0.4 2,-0.6 -0.963 29.0-149.2-138.9 141.8 80.4 -39.0 17.4 30 32 A L E > S-BC 8 33A 0 3,-2.5 3,-2.7 -2,-0.3 -22,-0.2 -0.972 85.9 -51.2-107.2 114.2 79.4 -42.7 17.8 31 33 A D T 3 S- 0 0 60 -24,-1.3 -22,-0.1 -2,-0.6 -2,-0.0 -0.397 124.8 -24.4 42.0-119.8 76.5 -43.0 15.5 32 34 A D T 3 S+ 0 0 46 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.041 117.0 103.9-103.7 26.7 74.4 -40.0 16.8 33 35 A L E < -C 30 0A 7 -3,-2.7 -3,-2.5 206,-0.0 2,-0.4 -0.919 69.4-133.9-109.4 113.7 76.0 -40.0 20.3 34 36 A Q E +C 29 0A 29 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.517 34.8 162.2 -72.6 124.0 78.5 -37.2 20.9 35 37 A I E + 0 0 0 -7,-2.5 13,-1.5 -2,-0.4 14,-0.6 0.516 64.3 43.5-114.9 -10.8 81.7 -38.4 22.6 36 38 A H E -CD 28 47A 24 -8,-2.1 -8,-1.9 11,-0.2 -1,-0.2 -0.997 57.2-171.3-134.3 139.0 84.0 -35.4 21.7 37 39 A G E - D 0 46A 2 9,-1.8 9,-1.8 -2,-0.4 2,-0.4 -0.631 15.9-143.1-107.8 174.0 83.6 -31.7 21.7 38 40 A W E - D 0 45A 35 -12,-0.5 2,-0.8 7,-0.2 -12,-0.4 -0.963 6.8-147.0-147.2 123.9 86.1 -29.2 20.3 39 41 A E E >> - D 0 44A 55 5,-3.4 5,-1.6 -2,-0.4 4,-1.6 -0.851 18.3-159.7 -88.5 109.6 87.1 -25.8 21.6 40 42 A S T 45S+ 0 0 55 -2,-0.8 -1,-0.1 3,-0.2 -15,-0.1 0.846 77.7 55.4 -63.0 -46.6 87.8 -23.9 18.4 41 43 A D T 45S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.955 123.7 23.2 -56.1 -55.9 90.0 -21.0 19.6 42 44 A S T 45S- 0 0 68 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.670 103.7-122.3 -86.6 -17.4 92.7 -23.0 21.3 43 45 A G T <5 + 0 0 2 -4,-1.6 2,-0.4 1,-0.2 26,-0.2 0.932 56.0 159.1 71.0 49.4 92.1 -26.2 19.2 44 46 A T E < -D 39 0A 63 -5,-1.6 -5,-3.4 25,-0.1 -1,-0.2 -0.883 35.5-133.8-109.4 131.0 91.4 -28.2 22.4 45 47 A A E -D 38 0A 20 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.431 10.3-145.5 -79.6 157.6 89.4 -31.5 22.6 46 48 A I E -D 37 0A 71 -9,-1.8 -9,-1.8 -2,-0.1 2,-1.0 -0.998 6.4-147.7-126.9 121.5 86.8 -32.1 25.2 47 49 A F E -D 36 0A 82 -2,-0.5 -11,-0.2 -11,-0.2 6,-0.1 -0.828 16.0-177.0-100.3 100.0 86.4 -35.7 26.4 48 50 A L + 0 0 77 -13,-1.5 -1,-0.2 -2,-1.0 -12,-0.1 0.686 62.4 42.1 -73.6 -20.8 82.8 -36.1 27.1 49 51 A K S > S- 0 0 47 -14,-0.6 3,-1.7 1,-0.1 4,-0.2 -0.895 82.1-116.3-129.3 152.9 82.9 -39.6 28.5 50 52 A P T 3 S+ 0 0 133 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.830 120.3 41.9 -51.9 -29.0 85.2 -41.6 30.8 51 53 A W T > S+ 0 0 22 1,-0.2 3,-2.9 2,-0.1 124,-0.2 0.224 75.7 117.6-108.3 13.5 86.0 -43.8 27.8 52 54 A S T < S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.718 75.3 55.3 -56.7 -24.0 86.3 -41.2 25.1 53 55 A K T > S- 0 0 66 -3,-0.3 3,-2.6 1,-0.3 -1,-0.3 0.441 90.7-163.4 -88.2 3.9 89.9 -42.1 24.5 54 56 A G T < - 0 0 20 -3,-2.9 -1,-0.3 1,-0.3 117,-0.1 -0.282 64.5 -31.7 52.8-130.3 88.9 -45.7 23.8 55 57 A N T 3 S+ 0 0 103 112,-0.2 -1,-0.3 111,-0.2 2,-0.3 0.121 107.8 120.1-102.1 17.1 92.1 -47.9 24.1 56 58 A F < - 0 0 15 -3,-2.6 2,-0.0 111,-0.1 -3,-0.0 -0.614 64.8-116.5 -85.1 142.6 94.4 -45.1 22.8 57 59 A S > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.338 26.0-112.3 -66.8 153.2 97.3 -43.8 24.9 58 60 A D H > S+ 0 0 97 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 118.6 54.3 -49.0 -44.3 97.3 -40.1 26.0 59 61 A D H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 109.2 47.2 -63.3 -38.9 100.3 -39.5 23.7 60 62 A E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.950 113.0 47.9 -68.3 -47.2 98.4 -40.9 20.7 61 63 A V H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.943 111.9 51.6 -52.8 -48.3 95.3 -38.8 21.5 62 64 A T H X S+ 0 0 76 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.896 108.7 50.0 -58.9 -43.4 97.6 -35.7 21.9 63 65 A E H X S+ 0 0 128 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.906 111.8 48.6 -57.8 -45.3 99.2 -36.3 18.5 64 66 A L H X S+ 0 0 32 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 111.5 49.3 -64.5 -44.6 95.8 -36.6 16.9 65 67 A V H X S+ 0 0 20 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 110.1 50.5 -57.7 -46.0 94.5 -33.5 18.6 66 68 A D H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.891 110.8 52.0 -59.2 -40.4 97.6 -31.5 17.4 67 69 A L H X S+ 0 0 59 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.929 110.0 45.6 -63.6 -46.0 96.9 -32.9 14.0 68 70 A F H X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.873 109.8 55.6 -69.0 -35.2 93.3 -31.7 14.0 69 71 A R H X S+ 0 0 80 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.924 110.4 45.0 -60.9 -43.7 94.3 -28.3 15.3 70 72 A A H X S+ 0 0 64 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.859 110.0 56.9 -67.6 -35.4 96.7 -27.8 12.5 71 73 A Y H X S+ 0 0 75 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.941 105.1 48.8 -60.8 -53.2 94.1 -29.0 10.0 72 74 A F H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.931 113.2 48.0 -54.5 -47.6 91.5 -26.5 10.9 73 75 A I H X S+ 0 0 122 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.915 118.5 40.5 -59.6 -45.5 94.0 -23.6 10.7 74 76 A G H X S+ 0 0 33 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.933 112.5 53.9 -69.2 -50.4 95.3 -24.9 7.3 75 77 A F H X S+ 0 0 40 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.915 110.6 48.0 -46.2 -53.4 91.8 -25.8 5.9 76 78 A T H X S+ 0 0 27 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.946 112.7 47.0 -56.2 -50.9 90.6 -22.3 6.6 77 79 A R H X S+ 0 0 50 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.8 49.6 -60.7 -47.1 93.6 -20.6 5.1 78 80 A E H X S+ 0 0 73 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.897 111.7 46.9 -59.9 -47.1 93.5 -22.8 1.9 79 81 A V H >< S+ 0 0 19 -4,-2.4 3,-1.0 -5,-0.2 4,-0.5 0.977 111.0 52.5 -59.9 -53.3 89.7 -22.2 1.3 80 82 A Q H >< S+ 0 0 36 -4,-2.4 3,-1.0 1,-0.3 4,-0.2 0.883 111.7 47.0 -46.0 -46.5 90.1 -18.4 1.8 81 83 A D H 3< S+ 0 0 133 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.741 114.3 46.3 -69.5 -26.2 92.9 -18.3 -0.8 82 84 A R T S+ 0 0 11 -3,-1.0 5,-2.8 -4,-0.5 -1,-0.2 0.910 86.5 39.4 -53.2 -47.0 87.7 -18.6 -3.1 84 86 A N T >45S+ 0 0 138 -3,-0.3 3,-1.8 -4,-0.2 -1,-0.2 0.939 112.2 55.2 -70.7 -48.9 88.2 -17.1 -6.7 85 87 A E T 345S+ 0 0 105 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.872 117.4 36.5 -50.4 -44.0 89.8 -20.3 -8.2 86 88 A F T 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -7,-0.2 -2,-0.2 0.261 109.0-126.5 -94.8 12.3 86.8 -22.4 -7.1 87 89 A Q T < 5 + 0 0 159 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.893 47.7 167.4 38.0 55.7 84.3 -19.5 -7.8 88 90 A L < - 0 0 28 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.757 21.7-151.8 -91.6 141.7 82.9 -19.7 -4.3 89 91 A E - 0 0 100 -2,-0.4 -71,-0.0 2,-0.1 -5,-0.0 -0.957 29.8 -78.2-119.5 138.6 80.7 -16.8 -3.2 90 92 A Y S S+ 0 0 72 -2,-0.4 -73,-0.1 2,-0.1 2,-0.1 -0.474 103.5 45.2 -73.6 146.2 80.2 -15.6 0.3 91 93 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -74,-0.2 0.655 78.7 157.2 -83.7 152.7 78.5 -16.7 2.5 92 94 A F E -A 16 0A 13 -76,-2.4 -76,-2.8 -2,-0.1 2,-0.5 -0.998 28.8-149.8-147.4 145.1 79.3 -20.5 2.2 93 95 A V E -A 15 0A 10 -2,-0.3 24,-1.9 -78,-0.2 25,-0.5 -0.925 6.0-167.8-115.8 129.2 79.2 -23.6 4.4 94 96 A I E -AE 14 116A 25 -80,-2.6 -80,-2.9 -2,-0.5 2,-0.4 -0.964 8.7-170.8-111.3 133.2 81.5 -26.6 4.1 95 97 A Q E -AE 13 115A 0 20,-2.0 20,-2.9 -2,-0.4 2,-0.4 -0.954 4.2-178.1-123.6 143.0 80.6 -29.8 6.0 96 98 A V E -AE 12 114A 16 -84,-2.1 -84,-2.6 -2,-0.4 2,-0.4 -0.998 11.7-173.8-142.4 133.8 82.8 -32.9 6.5 97 99 A T E +AE 11 113A 10 16,-2.5 16,-3.0 -2,-0.4 2,-0.3 -0.980 10.4 176.8-119.8 146.6 82.4 -36.3 8.1 98 100 A A E +AE 10 112A 20 -88,-1.7 -88,-3.1 -2,-0.4 2,-0.3 -0.979 28.8 86.8-145.5 129.2 85.3 -38.7 8.4 99 101 A G E -AE 9 111A 4 12,-2.0 12,-2.0 -2,-0.3 2,-0.3 -0.987 56.1 -89.0 168.8-161.0 85.3 -42.1 10.1 100 102 A a E -AE 8 110A 2 -92,-1.3 -92,-2.0 -2,-0.3 2,-0.3 -0.866 20.7-149.4-145.4 167.4 84.6 -45.7 9.9 101 103 A E E -AE 7 109A 61 8,-2.2 8,-2.4 -2,-0.3 -94,-0.2 -0.999 17.3-120.7-151.7 133.9 81.8 -48.3 10.4 102 104 A L - 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